2,2,3-trimethylimidazolidin-4-one

C6H12N2O — CID 130709696

IUPAC2,2,3-trimethylimidazolidin-4-one
SMILESCN1C(=O)CNC1(C)C
InChIInChI=1S/C6H12N2O/c1-6(2)7-4-5(9)8(6)3/h7H,4H2,1-3H3
InChIKeyRPDNQJQZCUYYLV-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.22
Rot. Bonds

About 2,2,3-trimethylimidazolidin-4-one

2,2,3-trimethylimidazolidin-4-one (PubChem CID 130709696) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2,2,3-trimethylimidazolidin-4-one.

Molecular Properties

Compound Name2,2,3-trimethylimidazolidin-4-one
PubChem CID130709696
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2,2,3-trimethylimidazolidin-4-one
SMILESCN1C(=O)CNC1(C)C
InChIInChI=1S/C6H12N2O/c1-6(2)7-4-5(9)8(6)3/h7H,4H2,1-3H3
InChIKeyRPDNQJQZCUYYLV-UHFFFAOYSA-N
XLogP-0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylimidazolidin-4-one?
The IUPAC name of 2,2,3-trimethylimidazolidin-4-one (CID 130709696) is 2,2,3-trimethylimidazolidin-4-one.
What is the SMILES notation for 2,2,3-trimethylimidazolidin-4-one?
The canonical SMILES for 2,2,3-trimethylimidazolidin-4-one is CN1C(=O)CNC1(C)C.
What is the InChIKey of 2,2,3-trimethylimidazolidin-4-one?
The InChIKey is RPDNQJQZCUYYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(2)7-4-5(9)8(6)3/h7H,4H2,1-3H3.
What are the key properties of 2,2,3-trimethylimidazolidin-4-one?
2,2,3-trimethylimidazolidin-4-one has a molecular weight of 128.17 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylimidazolidin-4-one is sourced from PubChem (CID 130709696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).